disodium;2-(carboxylatomethylamino)acetate

C4H5NNa2O4 — CID 13575

IUPACdisodium;2-(carboxylatomethylamino)acetate
SMILESO=C([O-])CNCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H7NO4.2Na/c6-3(7)1-5-2-4(8)9;;/h5H,1-2H2,(H,6,7)(H,8,9);;/q;2*+1/p-2
InChIKeyHAXVIVNBOQIMTE-UHFFFAOYSA-L
MW177.07 g/mol
LogP-9.92
Rot. Bonds4

About disodium;2-(carboxylatomethylamino)acetate

disodium;2-(carboxylatomethylamino)acetate (PubChem CID 13575) has the molecular formula C4H5NNa2O4 and a molecular weight of 177.07 g/mol. Its IUPAC name is disodium;2-(carboxylatomethylamino)acetate.

Molecular Properties

Compound Namedisodium;2-(carboxylatomethylamino)acetate
PubChem CID13575
Molecular FormulaC4H5NNa2O4
Molecular Weight177.07 g/mol
Exact Mass177.00
IUPAC Namedisodium;2-(carboxylatomethylamino)acetate
SMILESO=C([O-])CNCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H7NO4.2Na/c6-3(7)1-5-2-4(8)9;;/h5H,1-2H2,(H,6,7)(H,8,9);;/q;2*+1/p-2
InChIKeyHAXVIVNBOQIMTE-UHFFFAOYSA-L
XLogP-9.92
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.07
LogP ≤ 5-9.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Iminodiacetic acid
CID 8897
Trisodium Nitrilotriacetate
CID 21152
Sodium Sarcosinate
CID 23667259
Disodium ethylenediaminediacetate
CID 61974
Iminodiacetate
CID 3344189
((Carboxymethyl)amino)acetate
CID 6995749
Ammoniodiacetate
CID 3614581
Iminodiacetic acid, monosodium
CID 23681167
Sodium iminodiacetate dibasic monohydrate
CID 12520792
Nickel, (N-((carboxy-kappaO)methyl)glycinato(2-)-kappaN,kappaO)-
CID 83782
Potassium iminodiacetate
CID 18769479
Sodium iminodiacetate dibasic hydrate
CID 131699216

Frequently Asked Questions

What is the IUPAC name of disodium;2-(carboxylatomethylamino)acetate?
The IUPAC name of disodium;2-(carboxylatomethylamino)acetate (CID 13575) is disodium;2-(carboxylatomethylamino)acetate.
What is the SMILES notation for disodium;2-(carboxylatomethylamino)acetate?
The canonical SMILES for disodium;2-(carboxylatomethylamino)acetate is O=C([O-])CNCC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-(carboxylatomethylamino)acetate?
The InChIKey is HAXVIVNBOQIMTE-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H7NO4.2Na/c6-3(7)1-5-2-4(8)9;;/h5H,1-2H2,(H,6,7)(H,8,9);;/q;2*+1/p-2.
What are the key properties of disodium;2-(carboxylatomethylamino)acetate?
disodium;2-(carboxylatomethylamino)acetate has a molecular weight of 177.07 g/mol, XLogP of -9.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-(carboxylatomethylamino)acetate is sourced from PubChem (CID 13575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).